Geometry & MOs

Info

ID:	240380
PubChem CID:	93578053
Reduced:	N2S2O5C24H32 (1)
Stoich.:	A2B2C5D24E32 (1)
Weight, g/mol:	447.207944
ΔH_f, kcal/mol:	-205.15
Dipole, Da:	7.56
IP(EA), eV:	-8.26(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]-[(4-propoxyphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N[C@@H]3CCS(=O)(=O)C3)NC[C@@H](COC4=CC=C(C=C4)C)O

DOS

IR

Vibrations